Compound Detail
CHEMBL5517687
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Basic Information
| ChEMBL ID | CHEMBL5517687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJARLVDIFQHTGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
5.33
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmic reticulum aminopeptidase 1 CHEMBL5939 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmic reticulum aminopeptidase 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of ERAP1 (unknown origin) using L-pNA as susbtrate | 39011823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39011823 | 10.1021/acs.jmedchem.4c00840 | Endoplasmic reticulum aminopeptidase 1 | 1 |
Data from ChEMBL 36 via Core Engine